SCHEMBL29953876

SCHEMBL29953876

O=Cc1cc(Cl)c([N+](=O)[O-])o1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.45
MAPT P10636 5/20 0.45
KMT2A Q03164 3/20 0.45
MEN1 O00255 2/20 0.45
POLB P06746 1/20 0.45
VCAM1 P19320 1/20 0.41
TSHR P16473 3/20 0.36
HSD17B10 Q99714 1/20 0.34
MAPK1 P28482 1/20 0.33
CYP2A6 P11509 1/20 0.32
HPGD P15428 2/20 0.31
TDP1 Q9NUW8 2/20 0.31
NPC1 O15118 2/20 0.31
LMNA P02545 2/20 0.31
XBP1 P17861 2/20 0.31
RAB9A P51151 2/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
KDM4E B2RXH2 1/20 0.31
MITF O75030 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL6167136 0.77 MAPT (0.37) ALDH1A1MAPTKMT2AMEN1POLB
SCHEMBL6735384 0.73 MAPT (0.38) ALDH1A1MAPTKMT2AMEN1POLB
SCHEMBL7992586 0.70
SCHEMBL8484182 0.61 ALDH1A1 (0.61) ALDH1A1MAPTKMT2AMEN1POLB
SCHEMBL183545 0.61 KMT2A (0.66) ALDH1A1MAPTKMT2AMEN1POLB
SCHEMBL6715667 0.61 ALDH1A1 (0.61) ALDH1A1MAPTVCAM1TSHRHSD17B10
SCHEMBL14395256 0.60 CYP2A6 (0.43) ALDH1A1MAPTKMT2AMEN1POLB
SCHEMBL6730864 0.60 ERN1 (0.39) ALDH1A1MAPTKMT2AMEN1HSD17B10
SCHEMBL4988910 0.60 HSD17B10 (0.55) ALDH1A1MAPTVCAM1TSHRHSD17B10
Ammonia Solution, Strong SCHEMBL27671164 0.60 KMT2A (0.63) ALDH1A1MAPTKMT2AMEN1POLB

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed